CID 14458503

Potassium 2-(2,2-difluorocyclopropyl)acetate

Structural Information

Molecular Formula

C₅H₆F₂O₂

SMILES

C1C(C1(F)F)CC(=O)O

InChI

InChI=1S/C5H6F2O2/c6-5(7)2-3(5)1-4(8)9/h3H,1-2H2,(H,8,9)

InChIKey

MBRBTSNTUSHGFC-UHFFFAOYSA-N

Compound name

2-(2,2-difluorocyclopropyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 136.03358 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	137.04086	130.8
[M+Na]+	159.02280	140.1
[M+NH4]+	154.06740	138.8
[M+K]+	174.99674	136.1
[M-H]-	135.02630	134.5
[M+Na-2H]-	157.00825	137.1
[M]+	136.03303	133.9
[M]-	136.03413	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe